tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate

C26H30FN5O2S — CID 153383405

About tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate (PubChem CID 153383405) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate
• PubChem CID: 153383405
• Molecular Formula: C26H30FN5O2S
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.21
• IUPAC Name: tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate
• SMILES: Cc1cn2nc(-c3cc(F)c4nc(C5(C)CCN(C(=O)OC(C)(C)C)CC5)sc4c3)cc(C)c2n1
• InChI: InChI=1S/C26H30FN5O2S/c1-15-11-19(30-32-14-16(2)28-22(15)32)17-12-18(27)21-20(13-17)35-23(29-21)26(6)7-9-31(10-8-26)24(33)34-25(3,4)5/h11-14H,7-10H2,1-6H3
• InChIKey: DALZNWRJAREOIP-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 72.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate (CID 153383405) is tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate is Cc1cn2nc(-c3cc(F)c4nc(C5(C)CCN(C(=O)OC(C)(C)C)CC5)sc4c3)cc(C)c2n1.

What is the InChIKey of tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate?

The InChIKey is DALZNWRJAREOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c1-15-11-19(30-32-14-16(2)28-22(15)32)17-12-18(27)21-20(13-17)35-23(29-21)26(6)7-9-31(10-8-26)24(33)34-25(3,4)5/h11-14H,7-10H2,1-6H3.

What are the key properties of tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate?

tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate has a molecular weight of 495.62 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 153383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).